SCHEMBL4481846

SCHEMBL4481846

CCC1c2cccn2-c2ccc(Br)cc2N1S(=O)(=O)c1ccc(O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.35
THRB P10828 1/20 0.33
MMP2 P08253 2/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4488107 0.89 ESR1 (0.40) ESR1MMP2CYP1A2CYP3A4TSHR
SCHEMBL4492185 0.88 ESR1 (0.34) ESR1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL4498334 0.88 PSEN1 (0.37) ESR1TSHR
SCHEMBL4492935 0.88 ESR1 (0.35) ESR1MAPTCYP1A2CYP3A4TSHR
SCHEMBL4496076 0.88 ESR1 (0.35) ESR1MAPTCYP1A2CYP3A4TSHR
SCHEMBL4490545 0.88 ESR1 (0.35) ESR1MAPTCYP1A2CYP3A4TSHR
SCHEMBL4503821 0.88 MMP2 (0.37) ESR1THRBMMP2MAPTCYP1A2
SCHEMBL4502989 0.88 MMP2 (0.37) ESR1THRBMMP2MAPTCYP1A2
SCHEMBL4499347 0.88 MMP2 (0.37) ESR1THRBMMP2MAPTCYP1A2
SCHEMBL4504387 0.87 CYP1A2 (0.40) ESR1CYP1A2CYP3A4TSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US claimed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO claimed
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 ESR1 1/4885THRB 936/4885MMP2 4256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.